ChemDB: Chemical Search
Download
Chemical ID: 7221497
Chemical ID:
7221497
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3nc(nn3cn2)c4ccccc4OC(F)F
InChi [?]:
InChI=1/C16H10F2N4O/c17-16(18)23-13-8-4-2-6-11(13)14-20-15-10-5-1-3-7-12(10)19-9-22(15)21-14/h1-9,16H
InChi Info:
AuxInfo=1/0/N:1,16,2,17,6,15,3,18,12,5,14,4,19,9,7,21,22,23,13,8,10,11,20/E:(17,18)/rA:23nCCCCCCCNCNNCNCCCCCCOCFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;s4d12;s9;s14;d15;s16;d17;d14s18;s19;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10F2N4O |
All Atoms: | 33 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.31414 |
Area: | 465.031 |
Solvation: | -3.31163 |
Coulombic: | -38.8465 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 312.274 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.86 |
LogP (Chemaxon): | 4.15 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|